CID 12888377

36175-35-6

Structural Information

Molecular Formula
C5H7N3
SMILES
C1CC1N2C=NN=C2
InChI
InChI=1S/C5H7N3/c1-2-5(1)8-3-6-7-4-8/h3-5H,1-2H2
InChIKey
BMHJVMAHIYFSOF-UHFFFAOYSA-N
Compound name
4-cyclopropyl-1,2,4-triazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

109.063995 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 110.07127 127.9
[M+Na]+ 132.05321 139.0
[M-H]- 108.05672 131.5
[M+NH4]+ 127.09782 143.5
[M+K]+ 148.02715 136.4
[M+H-H2O]+ 92.061255 119.4
[M+HCOO]- 154.06220 150.9
[M+CH3COO]- 168.07785 141.5
[M+Na-2H]- 130.03866 135.1
[M]+ 109.06345 129.3
[M]- 109.06454 129.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe